SCHEMBL7845745

SCHEMBL7845745

COC(=O)c1ccccc1-c1nccn1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
BRD4 O60885 2/20 0.48
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
SLC6A2 P23975 1/20 0.44
MYC P01106 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30533387 0.83 BRD4 (0.51) HCRTR1HCRTR2BRD4KDM4EMYC
SCHEMBL1671337 0.83 BRD4 (0.51) HCRTR1HCRTR2BRD4KDM4EMYC
SCHEMBL69464 0.75 SLC6A3 (0.67) SLC6A3SLC6A4KDM4EPOLBATM
SCHEMBL1586163 0.74 SLC6A3 (0.54) SLC6A3SLC6A4KDM4EPOLBATM
Hydrochloric Acid SCHEMBL4345829 0.73 BRD4 (0.57) HCRTR1HCRTR2BRD4KDM4EHSD17B10
SCHEMBL28050388 0.73 BRD4 (0.50) BRD4KDM4ELMNATDP1ALDH1A1
SCHEMBL7845741 0.73 SMN1; SMN2 (0.56) KDM4ELMNATSHRTDP1ALDH1A1
SCHEMBL877718 0.73 BRD4 (0.53) HCRTR1HCRTR2BRD4KDM4EPOLB
SCHEMBL29790416 0.72 LMNA (0.57) KDM4EPOLBATMLMNATSHR
SCHEMBL13587950 0.72 BRD4 (0.56) HCRTR1HCRTR2BRD4KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850924-B1 Aromatic diselenides and selenosulphides for use as antioxidant agents OXIS ISLE OF MAN LTD (GB) 2001-03-14 EP disclosed
US-6040328-A ANTIOXIDANT AGENTS HAVING CYTOPROTECTING ACTIVITY, AND WATER SOLUBLE OXIS INTERNATIONAL S.A. (US) 2000-03-21 US disclosed
US-5973009-A ANTIOXIDANT AND CYTOPROTECTING ACTIVITY OXIS INTERNATIONAL S.A. (US) 1999-10-26 US disclosed
EP-0850924-A1 Aromatic diselenides and selenosulphides for use as antioxidant agents OXIS Isle of Man, Limited (GB) 1998-07-01 EP disclosed